4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol

C11H10N2O3S — CID 135415508

IUPAC4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESO/N=C(\Cc1cscn1)c1ccc(O)cc1O
InChIInChI=1S/C11H10N2O3S/c14-8-1-2-9(11(15)4-8)10(13-16)3-7-5-17-6-12-7/h1-2,4-6,14-16H,3H2/b13-10+
InChIKeyHJSWDPMDSPLRJI-JLHYYAGUSA-N
MW250.28 g/mol
LogP1.98
Rot. Bonds3

About 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol

4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol (PubChem CID 135415508) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol
PubChem CID135415508
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESO/N=C(\Cc1cscn1)c1ccc(O)cc1O
InChIInChI=1S/C11H10N2O3S/c14-8-1-2-9(11(15)4-8)10(13-16)3-7-5-17-6-12-7/h1-2,4-6,14-16H,3H2/b13-10+
InChIKeyHJSWDPMDSPLRJI-JLHYYAGUSA-N
XLogP1.98
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol (CID 135415508) is 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol is O/N=C(\Cc1cscn1)c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The InChIKey is HJSWDPMDSPLRJI-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-8-1-2-9(11(15)4-8)10(13-16)3-7-5-17-6-12-7/h1-2,4-6,14-16H,3H2/b13-10+.
What are the key properties of 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol?
4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol has a molecular weight of 250.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-hydroxy-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135415508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).